4-Methyl-3-Nitroaniline

CAT: 1299-RG-M050887-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-M050887-01Size:10 mg

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CAS Number

119-32-4

Synonyms

4-methyl-3-nitroaniline

Molecular Formula

C7H8N2O2

Molecular Weight

152.15

Product Name Synonym

4-methyl-3-nitroaniline

Chemical Information

4-Methyl-3-nitroaniline

4-Amino-2-nitrotoluene is a C-nitro compound.

CAS Number	119-32-4
PubChem CID	8390
IUPAC Name	4-methyl-3-nitroaniline
Molecular Formula	C7H8N2O2
Molecular Weight	152.15
XLogP	1.7
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	155

SMILES

CC1=C(C=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3

InChIKey

GDIIPKWHAQGCJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-32-4

CID: 8390

Formula: C7H8N2O2

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	152.058577502
Monoisotopic Mass	152.058577502
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-M050886-01	2-Methyl-3-Nitroaniline
RG-A262212-01	3-Fluoro-6-Methyl-2-Nitroaniline
RG-F122125-01	4-Fluoro-2-Methoxy-3-Nitroaniline
RG-A260439-01	4-Nitroaniline (controlled substance)
RG-D090601-01	4- (Difluoromethyl) -2-Nitroaniline
RG-A262520-01	N-Ethyl-3-Nitroaniline
RG-A260930-01	2,6-Dibromo-4-Nitroaniline
RG-A263436-01	2,3-Difluoro-6-Nitroaniline
RG-A261774-01	Methyl 4-Methyl-3-Oxopentanoate
RG-M200875-01	Methyl 3-Methyl-4-Nitrobenzoate

Catalog	Name
M-4200-01	4-Methyl-3-nitroaniline
OR8927-01	3-Methyl-4-nitroaniline
ZAA77312-01	4-Fluoro-N-methyl-3-nitroaniline
OR1038950-01	4-Chloro-3-methyl-2-nitroaniline
sc-313279	3-Methoxy-N-methyl-4-nitroaniline
PC501106	3-Fluoro-2-methyl-4-nitroaniline
DXC58259-01	3-Bromo-4-methyl-2-nitroaniline
425450-01	3-Ethoxy-N-methyl-4-nitroaniline
233339-01	4-Methyl-3-nitroaniline 99+% (GC)
232052-01	3-Methyl-4-nitroaniline 98+% (GC)